SCHEMBL1724499

SCHEMBL1724499

CCCCC1CCCC1(CCCCCBr)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ARG1 P05089 3/20 0.35
ARG2 P78540 2/20 0.35
AKT1 P31749 10/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2137919 0.89 ARG1 (0.38) TDP1ARG1ARG2AKT1
SCHEMBL8667941 0.85 ALOX5 (0.36) ARG1ARG2AKT1
SCHEMBL14697385 0.85 ALOX5 (0.36) ARG1ARG2AKT1
SCHEMBL16653037 0.85 ALOX5 (0.36) ARG1ARG2AKT1
SCHEMBL16652985 0.85 ALOX5 (0.36) ARG1ARG2AKT1
SCHEMBL8411260 0.85 ALOX5 (0.36) ARG1ARG2AKT1
SCHEMBL20856928 0.84 TDP1 (0.38) TDP1ARG1ARG2
SCHEMBL2444946 0.83 ARG1 (0.37) ARG1ARG2AKT1
Ammonia Solution, Strong SCHEMBL7720467 0.82 CYP1A2 (0.37) TDP1ARG1ARG2
SCHEMBL11627387 0.80 ALOX15 (0.39) ARG1ARG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed